Modelling the interaction between silver(I) ion and proteins with the 12-6 Lennard-Jones potential: a bottom-up parameterization approach
Luca Manciocchi, Alexandre Bianchi, Valérie Mazan, Mark P. Potapov, Katharina M. Fromm, Martin Spichty
This paper calibrates Lennard-Jones parameters for silver(I) ions in the CHARMM36m force field to accurately model their interaction with amino acid residues and peptides.
Biophysica · Feb 25, 2025Peer-reviewedBiophysics